CID 818921

4-(thiophen-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CSC=C1C2=CNN=C2
InChI
InChI=1S/C7H6N2S/c1-2-10-5-6(1)7-3-8-9-4-7/h1-5H,(H,8,9)
InChIKey
QCHPFTILUWYZIO-UHFFFAOYSA-N
Compound name
4-thiophen-3-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

150.02516 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 126.6
[M+Na]+ 173.01438 138.0
[M-H]- 149.01788 131.0
[M+NH4]+ 168.05898 149.0
[M+K]+ 188.98832 134.8
[M+H-H2O]+ 133.02242 120.4
[M+HCOO]- 195.02336 147.5
[M+CH3COO]- 209.03901 141.5
[M+Na-2H]- 170.99983 130.0
[M]+ 150.02461 128.2
[M]- 150.02571 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe